SCHEMBL5779372

SCHEMBL5779372

COc1ncccc1CN1CCC(C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
LTA4H P09960 5/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ACKR3 P25106 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5780640 0.82 ALDH1A1 (0.46) NPC1RAB9AKMT2AHTTALDH1A1
SCHEMBL15214327 0.82 ACHE (0.54) LTA4HCD274
SCHEMBL5778746 0.81 CXCR4 (0.46) NPC1KMT2AMEN1LTA4HKDM4E
SCHEMBL5780904 0.80 KDM1A (0.42) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL5780164 0.80 CHRNB4 (0.43) KMT2AHTTALDH1A1KDM4ETP53
SCHEMBL12767598 0.80 CXCR4 (0.44) NPC1KMT2AMEN1KDM4EMAPT
SCHEMBL5783686 0.79 FAAH (0.48)
SCHEMBL5780521 0.79 FAAH (0.45) NPC1KMT2AMEN1KDM4EMAPT
SCHEMBL12727206 0.79 KDM1A (0.45) KMT2AMEN1MAPTCD274
SCHEMBL5777985 0.78 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4ETP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 NPC1 309/4885RAB9A 1912/4885KMT2A 1308/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.